1L7M

HIGH RESOLUTION LIGANDED STRUCTURE OF PHOSPHOSERINE PHOSPHATASE (PI COMPLEX)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-03
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	69.073, 70.270, 90.924
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.480
R-factor	0.202 *
Rwork	0.202
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f5s
RMSD bond length	0.012 *
RMSD bond angle	1.620 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.500
High resolution limit [Å]	1.480	1.480
Rmerge	0.035 *	0.335 *
Number of reflections	72554 *	3547 *
<I/σ(I)>	36	3.4
Completeness [%]	98.9 *	97.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	Wang, W., (2001) Struct. Fold. Des., 9, 65. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)
2	1	drop		0.3 (M)
3	1	drop	EDTA	1 (mM)
4	1	drop	dithiothreitol	10 (mM)
5	1	drop	protein	54 (mg/ml)
6	1	reservoir	sodium acetate	0.1 (M)
7	1	reservoir	sodium phosphate dihydrate	0.5 (M)
8	1	reservoir	PEG2000 MME	22 (%)